3-[(2,5-dimethylphenyl)amino]pentanenitrile

Systemtic Name: 3-[(2,5-dimethylphenyl)amino]pentanenitrile Openeye Name: 3-(2,5-dimethylanilino)pentanenitrile CAS Name: 3-(2,5-dimethylanilino)pentanenitrile IUPAC Name: 3-(2,5-dimethylanilino)pentanenitrile Traditional Name: 3-(2,5-dimethylanilino)valeronitrile Formula: C13H18N2 MolecularWeight: 202.29542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=C(C=CC(=C1)C)C

Isomeric SMILES

CCC(CC#N)NC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C13H18N2/c1-4-12(7-8-14)15-13-9-10(2)5-6-11(13)3/h5-6,9,12,15H,4,7H2,1-3H3